COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK087629
Chemical Name: (3Z)-1,1,2,2-tetrafluoro-6,6-dimethyl-5-oxohept-3-en-3-olate
Smiles: FC(C(/C(=C/C(=O)C(C)(C)C)/[O-])(F)F)F

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Saltdata: 1/2Mg2+
Molecular Weight: 227.18
Empirical Formula: C9H11F4O2

Physical State: Dry powder
Available Amount: 206 mg

Lipinsky:
logP: 4.175
Rotatable bonds: 3
H-donors: 0
H-acceptors: 2
PSA: 40
Number of rings: 0

     

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